DL-Isopropyl phenylalaninate
TL;DR: DL-Isopropyl phenylalaninate (CAS 81084-82-4) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-amino-3-phenylpropanoate
Also Known As: DL-Isopropyl phenylalaninate, propan-2-yl 2-amino-3-phenylpropanoate, J2.999.726H, 2-Amino-3-phenylpropanoic acid isopropyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 81084-82-4 |
|---|---|
| SMILES | CC(C)OC(=O)C(CC1=CC=CC=C1)N |
| InChIKey | JPWDURLJLRNJAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DL-Isopropyl phenylalaninate (CAS 81084-82-4), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: propan-2-yl 2-amino-3-phenylpropanoate.
Chemical Property Profile of DL-Isopropyl phenylalaninate
Property Insights of DL-Isopropyl phenylalaninate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-Isopropyl phenylalaninate. With a topological polar surface area (TPSA) of 52.3 Ų, DL-Isopropyl phenylalaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DL-Isopropyl phenylalaninate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DL-Isopropyl phenylalaninate?
The CAS number of DL-Isopropyl phenylalaninate is 81084-82-4.
What is the molecular formula of DL-Isopropyl phenylalaninate?
The molecular formula of DL-Isopropyl phenylalaninate is C12H17NO2.
What is the molecular weight of DL-Isopropyl phenylalaninate?
The molecular weight of DL-Isopropyl phenylalaninate is 207.13 g/mol.
Where can I buy DL-Isopropyl phenylalaninate?
You can request a quote for DL-Isopropyl phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-Isopropyl phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for DL-Isopropyl phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.